CID 46316070

[3,3'-bipyridine]-6-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O2
SMILES
C1=CC(=CN=C1)C2=CN=C(C=C2)C(=O)O
InChI
InChI=1S/C11H8N2O2/c14-11(15)10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-7H,(H,14,15)
InChIKey
KEZVNXXJTWWOGL-UHFFFAOYSA-N
Compound name
5-pyridin-3-ylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

200.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.065856 141.1
[M+Na]+ 223.047798 149.5
[M-H]- 199.051304 144.1
[M+NH4]+ 218.092403 156.4
[M+K]+ 239.021738 145.9
[M+H-H2O]+ 183.055840 132.8
[M+HCOO]- 245.056781 161.9
[M+CH3COO]- 259.072431 181.1
[M+Na-2H]- 221.033246 148.6
[M]+ 200.05803142 140.1
[M]- 200.05912858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe